SCHEMBL2780994

SCHEMBL2780994

CCN(CCCc1ccc(C(=O)NC(C)(C)C(=O)OC)cc1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CXCR2 P25025 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TRPV1 Q8NER1 3/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ ESRRG P62508 2/20 0.36
▸ GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2783032 0.91 CXCR2 (0.47) CXCR2ALDH1A1TRPV1KMT2ASMN1; SMN2
SCHEMBL2781727 0.80 RARB (0.45) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL2784683 0.76 FFAR1 (0.47) ALDH1A1KMT2ASMN1; SMN2HDAC6MAPT
SCHEMBL2130622 0.76 CASR (0.52) HRH3KMT2ASMN1; SMN2HDAC6MEN1
SCHEMBL2130616 0.76 CASR (0.52) HRH3KMT2ASMN1; SMN2HDAC6MEN1
SCHEMBL2781840 0.76 TDP1 (0.41) CNR2KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL2780743 0.73 TRPV1 (0.37) TRPV1
SCHEMBL2779102 0.72 MRGPRX4 (0.47) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL2781623 0.70 POLB (0.42) HRH3ALDH1A1KMT2AMAPTMEN1
SCHEMBL2781686 0.70 CYP1A2 (0.48) ALDH1A1KMT2ASMN1; SMN2HDAC6HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO claimed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO disclosed
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